4-oxidanylidene-3-prop-2-enyl-N-(1-propylbenzimidazol-2-yl)-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 4-oxidanylidene-3-prop-2-enyl-N-(1-propylbenzimidazol-2-yl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-allyl-4-oxo-N-(1-propylbenzimidazol-2-yl)-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 4-oxo-3-prop-2-enyl-N-(1-propyl-2-benzimidazolyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 4-oxo-3-prop-2-enyl-N-(1-propylbenzimidazol-2-yl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-allyl-4-keto-N-(1-propylbenzimidazol-2-yl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C22H21N5O2S MolecularWeight: 419.49944

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2N=C1NC(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)CC=C

Isomeric SMILES

CCCN1C2=CC=CC=C2N=C1NC(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)CC=C

InChI

InChI=1S/C22H21N5O2S/c1-3-11-26-18-8-6-5-7-16(18)23-21(26)25-19(28)14-9-10-15-17(13-14)24-22(30)27(12-4-2)20(15)29/h4-10,13H,2-3,11-12H2,1H3,(H,24,30)(H,23,25,28)